REMARK Name = BDB059776 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.924 1.930 -2.714 0.00 0.00 +0.113 A ATOM 2 N LIG 1 0.300 0.722 -2.939 0.00 0.00 -0.292 N ATOM 3 C LIG 1 1.051 -0.382 -3.299 0.00 0.00 +0.258 A ATOM 4 O LIG 1 0.566 -1.456 -3.653 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 2.525 -0.238 -3.233 0.00 0.00 +0.047 A ATOM 6 C LIG 1 3.008 0.985 -2.959 0.00 0.00 +0.049 A ATOM 7 C LIG 1 4.476 1.295 -2.809 0.00 0.00 +0.066 C ATOM 8 N LIG 1 2.210 2.076 -2.745 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 0.062 3.156 -2.421 0.00 0.00 +0.074 C BRANCH 9 10 ATOM 10 C LIG 1 0.856 4.452 -2.227 0.00 0.00 +0.007 C BRANCH 10 12 ATOM 11 C LIG 1 -0.823 5.635 -0.712 0.00 0.00 +0.004 C ATOM 12 C LIG 1 -0.035 5.677 -2.012 0.00 0.00 -0.003 C ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 2 13 ATOM 13 C LIG 1 -1.151 0.527 -2.847 0.00 0.00 +0.161 C BRANCH 13 14 ATOM 14 C LIG 1 -1.607 0.225 -1.431 0.00 0.00 -0.028 A ATOM 15 C LIG 1 -2.494 1.083 -0.768 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -2.904 0.812 0.541 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -2.457 -0.335 1.214 0.00 0.00 -0.017 A ATOM 18 C LIG 1 -1.574 -1.195 0.545 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -1.162 -0.923 -0.762 0.00 0.00 +0.006 A BRANCH 17 20 ATOM 20 C LIG 1 -2.901 -0.632 2.585 0.00 0.00 -0.007 A ATOM 21 C LIG 1 -4.241 -0.899 2.942 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -4.582 -1.099 4.292 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -3.608 -1.067 5.288 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -2.283 -0.829 4.947 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -1.936 -0.610 3.613 0.00 0.00 +0.009 A BRANCH 21 26 ATOM 26 C LIG 1 -5.353 -0.995 1.975 0.00 0.00 +0.183 A ATOM 27 N LIG 1 -5.178 -1.474 0.737 0.00 0.00 -0.271 N ATOM 28 H LIG 1 -4.337 -1.780 0.280 0.00 0.00 +0.174 HD ATOM 29 C LIG 1 -6.370 -1.418 0.126 0.00 0.00 +0.440 A ATOM 30 O LIG 1 -6.598 -1.734 -1.030 0.00 0.00 -0.221 OA ATOM 31 O LIG 1 -7.293 -0.932 1.017 0.00 0.00 -0.295 OA ATOM 32 N LIG 1 -6.579 -0.669 2.228 0.00 0.00 -0.054 NA ENDBRANCH 21 26 ENDBRANCH 17 20 ENDBRANCH 13 14 ENDBRANCH 2 13 BRANCH 5 33 ATOM 33 C LIG 1 3.307 -1.502 -3.473 0.00 0.00 +0.141 C BRANCH 33 34 ATOM 34 C LIG 1 3.386 -2.393 -2.287 0.00 0.00 +0.232 A ATOM 35 O LIG 1 2.593 -3.502 -2.286 0.00 0.00 -0.338 OA ATOM 36 N LIG 1 2.829 -4.158 -1.075 0.00 0.00 -0.061 NA ATOM 37 C LIG 1 3.722 -3.366 -0.465 0.00 0.00 +0.176 A ATOM 38 N LIG 1 4.117 -2.271 -1.201 0.00 0.00 -0.195 NA BRANCH 37 39 ATOM 39 C LIG 1 4.295 -3.683 0.866 0.00 0.00 +0.114 C BRANCH 39 40 ATOM 40 C LIG 1 3.465 -2.934 1.882 0.00 0.00 -0.040 A ATOM 41 C LIG 1 3.751 -1.594 2.191 0.00 0.00 +0.004 A ATOM 42 C LIG 1 2.999 -0.911 3.148 0.00 0.00 +0.000 A ATOM 43 C LIG 1 1.953 -1.556 3.805 0.00 0.00 +0.000 A ATOM 44 C LIG 1 1.648 -2.880 3.497 0.00 0.00 +0.000 A ATOM 45 C LIG 1 2.398 -3.566 2.539 0.00 0.00 +0.004 A ENDBRANCH 39 40 ENDBRANCH 37 39 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 11